import java.awt.Color;
import java.util.ArrayList;
+import java.util.Arrays;
import java.util.Enumeration;
import java.util.HashMap;
import java.util.Hashtable;
public class ResidueProperties
{
- public static Hashtable<String, ScoreModelI> scoreMatrices = new Hashtable();
+ public static Hashtable<String, ScoreModelI> scoreMatrices = new Hashtable<String, ScoreModelI>();
// Stores residue codes/names and colours and other things
public static final int[] aaIndex; // aaHash version 2.1.1 and below
purinepyrimidineIndex['n'] = 2;
}
+ private static final Integer ONE = Integer.valueOf(1);
+
+ private static final Integer ZERO = Integer.valueOf(0);
+
static
{
- aa3Hash.put("ALA", new Integer(0));
- aa3Hash.put("ARG", new Integer(1));
- aa3Hash.put("ASN", new Integer(2));
- aa3Hash.put("ASP", new Integer(3)); // D
- aa3Hash.put("CYS", new Integer(4));
- aa3Hash.put("GLN", new Integer(5)); // Q
- aa3Hash.put("GLU", new Integer(6)); // E
- aa3Hash.put("GLY", new Integer(7));
- aa3Hash.put("HIS", new Integer(8));
- aa3Hash.put("ILE", new Integer(9));
- aa3Hash.put("LEU", new Integer(10));
- aa3Hash.put("LYS", new Integer(11));
- aa3Hash.put("MET", new Integer(12));
- aa3Hash.put("PHE", new Integer(13));
- aa3Hash.put("PRO", new Integer(14));
- aa3Hash.put("SER", new Integer(15));
- aa3Hash.put("THR", new Integer(16));
- aa3Hash.put("TRP", new Integer(17));
- aa3Hash.put("TYR", new Integer(18));
- aa3Hash.put("VAL", new Integer(19));
+ aa3Hash.put("ALA", ZERO);
+ aa3Hash.put("ARG", ONE);
+ aa3Hash.put("ASN", Integer.valueOf(2));
+ aa3Hash.put("ASP", Integer.valueOf(3)); // D
+ aa3Hash.put("CYS", Integer.valueOf(4));
+ aa3Hash.put("GLN", Integer.valueOf(5)); // Q
+ aa3Hash.put("GLU", Integer.valueOf(6)); // E
+ aa3Hash.put("GLY", Integer.valueOf(7));
+ aa3Hash.put("HIS", Integer.valueOf(8));
+ aa3Hash.put("ILE", Integer.valueOf(9));
+ aa3Hash.put("LEU", Integer.valueOf(10));
+ aa3Hash.put("LYS", Integer.valueOf(11));
+ aa3Hash.put("MET", Integer.valueOf(12));
+ aa3Hash.put("PHE", Integer.valueOf(13));
+ aa3Hash.put("PRO", Integer.valueOf(14));
+ aa3Hash.put("SER", Integer.valueOf(15));
+ aa3Hash.put("THR", Integer.valueOf(16));
+ aa3Hash.put("TRP", Integer.valueOf(17));
+ aa3Hash.put("TYR", Integer.valueOf(18));
+ aa3Hash.put("VAL", Integer.valueOf(19));
// IUB Nomenclature for ambiguous peptides
- aa3Hash.put("ASX", new Integer(20)); // "B";
- aa3Hash.put("GLX", new Integer(21)); // Z
- aa3Hash.put("XAA", new Integer(22)); // X unknown
- aa3Hash.put("-", new Integer(23));
- aa3Hash.put("*", new Integer(23));
- aa3Hash.put(".", new Integer(23));
- aa3Hash.put(" ", new Integer(23));
- aa3Hash.put("Gap", new Integer(23));
- aa3Hash.put("UR3", new Integer(24));
+ aa3Hash.put("ASX", Integer.valueOf(20)); // "B";
+ aa3Hash.put("GLX", Integer.valueOf(21)); // Z
+ aa3Hash.put("XAA", Integer.valueOf(22)); // X unknown
+ aa3Hash.put("-", Integer.valueOf(23));
+ aa3Hash.put("*", Integer.valueOf(23));
+ aa3Hash.put(".", Integer.valueOf(23));
+ aa3Hash.put(" ", Integer.valueOf(23));
+ aa3Hash.put("Gap", Integer.valueOf(23));
+ aa3Hash.put("UR3", Integer.valueOf(24));
}
static
public static final Color midBlue = new Color(100, 100, 255);
- public static final Vector scaleColours = new Vector();
-
- static
- {
- scaleColours.addElement(new Color(114, 0, 147));
- scaleColours.addElement(new Color(156, 0, 98));
- scaleColours.addElement(new Color(190, 0, 0));
- scaleColours.addElement(Color.red);
- scaleColours.addElement(new Color(255, 125, 0));
- scaleColours.addElement(Color.orange);
- scaleColours.addElement(new Color(255, 194, 85));
- scaleColours.addElement(Color.yellow);
- scaleColours.addElement(new Color(255, 255, 181));
- scaleColours.addElement(Color.white);
- }
-
- public static final Color[] taylor = { new Color(204, 255, 0), // A
- // Greenish-yellowy-yellow
+ // not currently in use
+ // public static final Vector<Color> scaleColours = new Vector<Color>();
+ // static
+ // {
+ // scaleColours.addElement(new Color(114, 0, 147));
+ // scaleColours.addElement(new Color(156, 0, 98));
+ // scaleColours.addElement(new Color(190, 0, 0));
+ // scaleColours.addElement(Color.red);
+ // scaleColours.addElement(new Color(255, 125, 0));
+ // scaleColours.addElement(Color.orange);
+ // scaleColours.addElement(new Color(255, 194, 85));
+ // scaleColours.addElement(Color.yellow);
+ // scaleColours.addElement(new Color(255, 255, 181));
+ // scaleColours.addElement(Color.white);
+ // }
+
+ public static final Color[] taylor = { new Color(204, 255, 0),
+ // A Greenish-yellowy-yellow
new Color(0, 0, 255), // R Blueish-bluey-blue
new Color(204, 0, 255), // N Blueish-reddy-blue
new Color(255, 0, 0), // D Reddish-reddy-red
-3, 3, 0, -1, -4 },
{ -2, -2, 1, 6, -3, 0, 2, -1, -1, -3, -4, -1, -3, -3, -1, 0, -1, -4,
-3, -3, 4, 1, -1, -4 },
- { 0, 3, -3, -3, 9, -3, -4, -3, -3, -1, -1, -3, -1, -2, -3, -1, -1,
+ { 0, -3, -3, -3, 9, -3, -4, -3, -3, -1, -1, -3, -1, -2, -3, -1, -1,
-2, -2, -1, -3, -3, -2, -4 },
{ -1, 1, 0, 0, -3, 5, 2, -2, 0, -3, -2, 1, 0, -3, -1, 0, -1, -2, -1,
-2, 0, 3, -1, -4 },
{ -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8, -8,
-8, -8, -8, -8, -8, -8, 1 }, };
- public static final Hashtable ssHash = new Hashtable(); // stores the number
- // value of the aa
-
- static
- {
- ssHash.put("H", Color.magenta);
- ssHash.put("E", Color.yellow);
- ssHash.put("-", Color.white);
- ssHash.put(".", Color.white);
- ssHash.put("S", Color.cyan);
- ssHash.put("T", Color.blue);
- ssHash.put("G", Color.pink);
- ssHash.put("I", Color.pink);
- ssHash.put("B", Color.yellow);
- }
+ // not currently used
+ // public static final Map<String, Color> ssHash = new Hashtable<String,
+ // Color>();
+ // static
+ // {
+ // ssHash.put("H", Color.magenta);
+ // ssHash.put("E", Color.yellow);
+ // ssHash.put("-", Color.white);
+ // ssHash.put(".", Color.white);
+ // ssHash.put("S", Color.cyan);
+ // ssHash.put("T", Color.blue);
+ // ssHash.put("G", Color.pink);
+ // ssHash.put("I", Color.pink);
+ // ssHash.put("B", Color.yellow);
+ // }
/*
* new Color(60, 136, 238), // U Color.white, // I Color.white, // X
scoreMatrices.put("BLOSUM62", new ScoreMatrix("BLOSUM62", BLOSUM62, 0));
scoreMatrices.put("PAM250", new ScoreMatrix("PAM250", PAM250, 0));
scoreMatrices.put("DNA", new ScoreMatrix("DNA", DNA, 1));
-
}
public static final Color[] pidColours = { midBlue,
public static final float[] pidThresholds = { 80, 60, 40, };
- public static Map<String, List<String>> codonHash = new HashMap<String, List<String>>();
-
- private static List<String> Lys = new ArrayList<String>();
-
- private static List<String> Asn = new ArrayList<String>();
-
- private static List<String> Gln = new ArrayList<String>();
-
- private static List<String> His = new ArrayList<String>();
-
- private static List<String> Glu = new ArrayList<String>();
-
- private static List<String> Asp = new ArrayList<String>();
-
- private static List<String> Tyr = new ArrayList<String>();
-
- private static List<String> Thr = new ArrayList<String>();
-
- private static List<String> Pro = new ArrayList<String>();
-
- private static List<String> Ala = new ArrayList<String>();
-
- private static List<String> Ser = new ArrayList<String>();
-
- private static List<String> Arg = new ArrayList<String>();
-
- private static List<String> Gly = new ArrayList<String>();
-
- private static List<String> Trp = new ArrayList<String>();
-
- private static List<String> Cys = new ArrayList<String>();
-
- private static List<String> Ile = new ArrayList<String>();
-
- private static List<String> Met = new ArrayList<String>();
-
- private static List<String> Leu = new ArrayList<String>();
-
- private static List<String> Val = new ArrayList<String>();
-
- private static List<String> Phe = new ArrayList<String>();
-
- public static List<String> STOP = new ArrayList<String>();
+ public static List<String> STOP = Arrays.asList("TGA", "TAA", "TAG");
public static String START = "ATG";
- static
- {
- codonHash.put("K", Lys);
- codonHash.put("N", Asn);
- codonHash.put("Q", Gln);
- codonHash.put("H", His);
- codonHash.put("E", Glu);
- codonHash.put("D", Asp);
- codonHash.put("Y", Tyr);
- codonHash.put("T", Thr);
- codonHash.put("P", Pro);
- codonHash.put("A", Ala);
- codonHash.put("S", Ser);
- codonHash.put("R", Arg);
- codonHash.put("G", Gly);
- codonHash.put("W", Trp);
- codonHash.put("C", Cys);
- codonHash.put("I", Ile);
- codonHash.put("M", Met);
- codonHash.put("L", Leu);
- codonHash.put("V", Val);
- codonHash.put("F", Phe);
- codonHash.put("STOP", STOP);
- }
-
/**
* Nucleotide Ambiguity Codes
*/
// make all codons for this combination
char allres[][] = new char[tpos.length][];
String _acodon = "";
- char _anuc;
for (ipos = 0; ipos < tpos.length; ipos++)
{
if (acodon[ipos].length == 0 || tpos[ipos] < 0)
}
}
}
-
- }
-
- static
- {
- Lys.add("AAA");
- Lys.add("AAG");
- Asn.add("AAC");
- Asn.add("AAT");
-
- Gln.add("CAA");
- Gln.add("CAG");
- His.add("CAC");
- His.add("CAT");
-
- Glu.add("GAA");
- Glu.add("GAG");
- Asp.add("GAC");
- Asp.add("GAT");
-
- Tyr.add("TAC");
- Tyr.add("TAT");
-
- Thr.add("ACA");
- Thr.add("ACG");
- Thr.add("ACC");
- Thr.add("ACT");
-
- Pro.add("CCA");
- Pro.add("CCG");
- Pro.add("CCC");
- Pro.add("CCT");
-
- Ala.add("GCA");
- Ala.add("GCG");
- Ala.add("GCC");
- Ala.add("GCT");
-
- Ser.add("TCA");
- Ser.add("TCG");
- Ser.add("TCC");
- Ser.add("TCT");
- Ser.add("AGC");
- Ser.add("AGT");
-
- Arg.add("AGA");
- Arg.add("AGG");
- Arg.add("CGA");
- Arg.add("CGG");
- Arg.add("CGC");
- Arg.add("CGT");
-
- Gly.add("GGA");
- Gly.add("GGG");
- Gly.add("GGC");
- Gly.add("GGT");
-
- STOP.add("TGA");
- STOP.add("TAA");
- STOP.add("TAG");
-
- Trp.add("TGG");
-
- Cys.add("TGC");
- Cys.add("TGT");
-
- Ile.add("ATA");
- Ile.add("ATC");
- Ile.add("ATT");
-
- Met.add("ATG");
-
- Leu.add("CTA");
- Leu.add("CTG");
- Leu.add("CTC");
- Leu.add("CTT");
- Leu.add("TTA");
- Leu.add("TTG");
-
- Val.add("GTA");
- Val.add("GTG");
- Val.add("GTC");
- Val.add("GTT");
-
- Phe.add("TTC");
- Phe.add("TTT");
}
// Stores residue codes/names and colours and other things
- public static Hashtable propHash = new Hashtable();
+ public static Map<String, Map<String, Integer>> propHash = new Hashtable<String, Map<String, Integer>>();
- public static Hashtable hydrophobic = new Hashtable();
+ public static Map<String, Integer> hydrophobic = new Hashtable<String, Integer>();
- public static Hashtable polar = new Hashtable();
+ public static Map<String, Integer> polar = new Hashtable<String, Integer>();
- public static Hashtable small = new Hashtable();
+ public static Map<String, Integer> small = new Hashtable<String, Integer>();
- public static Hashtable positive = new Hashtable();
+ public static Map<String, Integer> positive = new Hashtable<String, Integer>();
- public static Hashtable negative = new Hashtable();
+ public static Map<String, Integer> negative = new Hashtable<String, Integer>();
- public static Hashtable charged = new Hashtable();
+ public static Map<String, Integer> charged = new Hashtable<String, Integer>();
- public static Hashtable aromatic = new Hashtable();
+ public static Map<String, Integer> aromatic = new Hashtable<String, Integer>();
- public static Hashtable aliphatic = new Hashtable();
+ public static Map<String, Integer> aliphatic = new Hashtable<String, Integer>();
- public static Hashtable tiny = new Hashtable();
+ public static Map<String, Integer> tiny = new Hashtable<String, Integer>();
- public static Hashtable proline = new Hashtable();
+ public static Map<String, Integer> proline = new Hashtable<String, Integer>();
static
{
- hydrophobic.put("I", new Integer(1));
- hydrophobic.put("L", new Integer(1));
- hydrophobic.put("V", new Integer(1));
- hydrophobic.put("C", new Integer(1));
- hydrophobic.put("A", new Integer(1));
- hydrophobic.put("G", new Integer(1));
- hydrophobic.put("M", new Integer(1));
- hydrophobic.put("F", new Integer(1));
- hydrophobic.put("Y", new Integer(1));
- hydrophobic.put("W", new Integer(1));
- hydrophobic.put("H", new Integer(1));
- hydrophobic.put("K", new Integer(1));
- hydrophobic.put("X", new Integer(1));
- hydrophobic.put("-", new Integer(1));
- hydrophobic.put("*", new Integer(1));
- hydrophobic.put("R", new Integer(0));
- hydrophobic.put("E", new Integer(0));
- hydrophobic.put("Q", new Integer(0));
- hydrophobic.put("D", new Integer(0));
- hydrophobic.put("N", new Integer(0));
- hydrophobic.put("S", new Integer(0));
- hydrophobic.put("T", new Integer(0));
- hydrophobic.put("P", new Integer(0));
+ hydrophobic.put("I", ONE);
+ hydrophobic.put("L", ONE);
+ hydrophobic.put("V", ONE);
+ hydrophobic.put("C", ONE);
+ hydrophobic.put("A", ONE);
+ hydrophobic.put("G", ONE);
+ hydrophobic.put("M", ONE);
+ hydrophobic.put("F", ONE);
+ hydrophobic.put("Y", ONE);
+ hydrophobic.put("W", ONE);
+ hydrophobic.put("H", ONE);
+ hydrophobic.put("K", ONE);
+ hydrophobic.put("X", ONE);
+ hydrophobic.put("-", ONE);
+ hydrophobic.put("*", ONE);
+ hydrophobic.put("R", ZERO);
+ hydrophobic.put("E", ZERO);
+ hydrophobic.put("Q", ZERO);
+ hydrophobic.put("D", ZERO);
+ hydrophobic.put("N", ZERO);
+ hydrophobic.put("S", ZERO);
+ hydrophobic.put("T", ONE);
+ hydrophobic.put("P", ZERO);
}
static
{
- polar.put("Y", new Integer(1));
- polar.put("W", new Integer(1));
- polar.put("H", new Integer(1));
- polar.put("K", new Integer(1));
- polar.put("R", new Integer(1));
- polar.put("E", new Integer(1));
- polar.put("Q", new Integer(1));
- polar.put("D", new Integer(1));
- polar.put("N", new Integer(1));
- polar.put("S", new Integer(1));
- polar.put("T", new Integer(1));
- polar.put("X", new Integer(1));
- polar.put("-", new Integer(1));
- polar.put("*", new Integer(1));
- polar.put("I", new Integer(0));
- polar.put("L", new Integer(0));
- polar.put("V", new Integer(0));
- polar.put("C", new Integer(0));
- polar.put("A", new Integer(0));
- polar.put("G", new Integer(0));
- polar.put("M", new Integer(0));
- polar.put("F", new Integer(0));
- polar.put("P", new Integer(0));
+ polar.put("Y", ONE);
+ polar.put("W", ONE);
+ polar.put("H", ONE);
+ polar.put("K", ONE);
+ polar.put("R", ONE);
+ polar.put("E", ONE);
+ polar.put("Q", ONE);
+ polar.put("D", ONE);
+ polar.put("N", ONE);
+ polar.put("S", ONE);
+ polar.put("T", ONE);
+ polar.put("X", ONE);
+ polar.put("-", ONE);
+ polar.put("*", ONE);
+ polar.put("I", ZERO);
+ polar.put("L", ZERO);
+ polar.put("V", ZERO);
+ polar.put("C", ZERO);
+ polar.put("A", ZERO);
+ polar.put("G", ZERO);
+ polar.put("M", ZERO);
+ polar.put("F", ZERO);
+ polar.put("P", ZERO);
}
static
{
- small.put("I", new Integer(0));
- small.put("L", new Integer(0));
- small.put("V", new Integer(1));
- small.put("C", new Integer(1));
- small.put("A", new Integer(1));
- small.put("G", new Integer(1));
- small.put("M", new Integer(0));
- small.put("F", new Integer(0));
- small.put("Y", new Integer(0));
- small.put("W", new Integer(0));
- small.put("H", new Integer(0));
- small.put("K", new Integer(0));
- small.put("R", new Integer(0));
- small.put("E", new Integer(0));
- small.put("Q", new Integer(0));
- small.put("D", new Integer(1));
- small.put("N", new Integer(1));
- small.put("S", new Integer(1));
- small.put("T", new Integer(1));
- small.put("P", new Integer(1));
- small.put("-", new Integer(1));
- small.put("*", new Integer(1));
+ small.put("I", ZERO);
+ small.put("L", ZERO);
+ small.put("V", ONE);
+ small.put("C", ONE);
+ small.put("A", ONE);
+ small.put("G", ONE);
+ small.put("M", ZERO);
+ small.put("F", ZERO);
+ small.put("Y", ZERO);
+ small.put("W", ZERO);
+ small.put("H", ZERO);
+ small.put("K", ZERO);
+ small.put("R", ZERO);
+ small.put("E", ZERO);
+ small.put("Q", ZERO);
+ small.put("D", ONE);
+ small.put("N", ONE);
+ small.put("S", ONE);
+ small.put("T", ONE);
+ small.put("P", ONE);
+ small.put("-", ONE);
+ small.put("*", ONE);
}
static
{
- positive.put("I", new Integer(0));
- positive.put("L", new Integer(0));
- positive.put("V", new Integer(0));
- positive.put("C", new Integer(0));
- positive.put("A", new Integer(0));
- positive.put("G", new Integer(0));
- positive.put("M", new Integer(0));
- positive.put("F", new Integer(0));
- positive.put("Y", new Integer(0));
- positive.put("W", new Integer(0));
- positive.put("H", new Integer(1));
- positive.put("K", new Integer(1));
- positive.put("R", new Integer(1));
- positive.put("E", new Integer(0));
- positive.put("Q", new Integer(0));
- positive.put("D", new Integer(0));
- positive.put("N", new Integer(0));
- positive.put("S", new Integer(0));
- positive.put("T", new Integer(0));
- positive.put("P", new Integer(0));
- positive.put("-", new Integer(1));
- positive.put("*", new Integer(1));
+ positive.put("I", ZERO);
+ positive.put("L", ZERO);
+ positive.put("V", ZERO);
+ positive.put("C", ZERO);
+ positive.put("A", ZERO);
+ positive.put("G", ZERO);
+ positive.put("M", ZERO);
+ positive.put("F", ZERO);
+ positive.put("Y", ZERO);
+ positive.put("W", ZERO);
+ positive.put("H", ONE);
+ positive.put("K", ONE);
+ positive.put("R", ONE);
+ positive.put("E", ZERO);
+ positive.put("Q", ZERO);
+ positive.put("D", ZERO);
+ positive.put("N", ZERO);
+ positive.put("S", ZERO);
+ positive.put("T", ZERO);
+ positive.put("P", ZERO);
+ positive.put("-", ONE);
+ positive.put("*", ONE);
}
static
{
- negative.put("I", new Integer(0));
- negative.put("L", new Integer(0));
- negative.put("V", new Integer(0));
- negative.put("C", new Integer(0));
- negative.put("A", new Integer(0));
- negative.put("G", new Integer(0));
- negative.put("M", new Integer(0));
- negative.put("F", new Integer(0));
- negative.put("Y", new Integer(0));
- negative.put("W", new Integer(0));
- negative.put("H", new Integer(0));
- negative.put("K", new Integer(0));
- negative.put("R", new Integer(0));
- negative.put("E", new Integer(1));
- negative.put("Q", new Integer(0));
- negative.put("D", new Integer(1));
- negative.put("N", new Integer(0));
- negative.put("S", new Integer(0));
- negative.put("T", new Integer(0));
- negative.put("P", new Integer(0));
- negative.put("-", new Integer(1));
- negative.put("*", new Integer(1));
+ negative.put("I", ZERO);
+ negative.put("L", ZERO);
+ negative.put("V", ZERO);
+ negative.put("C", ZERO);
+ negative.put("A", ZERO);
+ negative.put("G", ZERO);
+ negative.put("M", ZERO);
+ negative.put("F", ZERO);
+ negative.put("Y", ZERO);
+ negative.put("W", ZERO);
+ negative.put("H", ZERO);
+ negative.put("K", ZERO);
+ negative.put("R", ZERO);
+ negative.put("E", ONE);
+ negative.put("Q", ZERO);
+ negative.put("D", ONE);
+ negative.put("N", ZERO);
+ negative.put("S", ZERO);
+ negative.put("T", ZERO);
+ negative.put("P", ZERO);
+ negative.put("-", ONE);
+ negative.put("*", ONE);
}
static
{
- charged.put("I", new Integer(0));
- charged.put("L", new Integer(0));
- charged.put("V", new Integer(0));
- charged.put("C", new Integer(0));
- charged.put("A", new Integer(0));
- charged.put("G", new Integer(0));
- charged.put("M", new Integer(0));
- charged.put("F", new Integer(0));
- charged.put("Y", new Integer(0));
- charged.put("W", new Integer(0));
- charged.put("H", new Integer(1));
- charged.put("K", new Integer(1));
- charged.put("R", new Integer(1));
- charged.put("E", new Integer(1));
- charged.put("Q", new Integer(0));
- charged.put("D", new Integer(1));
- charged.put("N", new Integer(0)); // Asparagine is polar but not charged.
- // Alternative would be charged and
- // negative (in basic form)?
- charged.put("S", new Integer(0));
- charged.put("T", new Integer(0));
- charged.put("P", new Integer(0));
- charged.put("-", new Integer(1));
- charged.put("*", new Integer(1));
+ charged.put("I", ZERO);
+ charged.put("L", ZERO);
+ charged.put("V", ZERO);
+ charged.put("C", ZERO);
+ charged.put("A", ZERO);
+ charged.put("G", ZERO);
+ charged.put("M", ZERO);
+ charged.put("F", ZERO);
+ charged.put("Y", ZERO);
+ charged.put("W", ZERO);
+ charged.put("H", ONE);
+ charged.put("K", ONE);
+ charged.put("R", ONE);
+ charged.put("E", ONE);
+ charged.put("Q", ZERO);
+ charged.put("D", ONE);
+ charged.put("N", ZERO); // Asparagine is polar but not
+ // charged.
+ // Alternative would be charged and
+ // negative (in basic form)?
+ charged.put("S", ZERO);
+ charged.put("T", ZERO);
+ charged.put("P", ZERO);
+ charged.put("-", ONE);
+ charged.put("*", ONE);
}
static
{
- aromatic.put("I", new Integer(0));
- aromatic.put("L", new Integer(0));
- aromatic.put("V", new Integer(0));
- aromatic.put("C", new Integer(0));
- aromatic.put("A", new Integer(0));
- aromatic.put("G", new Integer(0));
- aromatic.put("M", new Integer(0));
- aromatic.put("F", new Integer(1));
- aromatic.put("Y", new Integer(1));
- aromatic.put("W", new Integer(1));
- aromatic.put("H", new Integer(1));
- aromatic.put("K", new Integer(0));
- aromatic.put("R", new Integer(0));
- aromatic.put("E", new Integer(0));
- aromatic.put("Q", new Integer(0));
- aromatic.put("D", new Integer(0));
- aromatic.put("N", new Integer(0));
- aromatic.put("S", new Integer(0));
- aromatic.put("T", new Integer(0));
- aromatic.put("P", new Integer(0));
- aromatic.put("-", new Integer(1));
- aromatic.put("*", new Integer(1));
+ aromatic.put("I", ZERO);
+ aromatic.put("L", ZERO);
+ aromatic.put("V", ZERO);
+ aromatic.put("C", ZERO);
+ aromatic.put("A", ZERO);
+ aromatic.put("G", ZERO);
+ aromatic.put("M", ZERO);
+ aromatic.put("F", ONE);
+ aromatic.put("Y", ONE);
+ aromatic.put("W", ONE);
+ aromatic.put("H", ONE);
+ aromatic.put("K", ZERO);
+ aromatic.put("R", ZERO);
+ aromatic.put("E", ZERO);
+ aromatic.put("Q", ZERO);
+ aromatic.put("D", ZERO);
+ aromatic.put("N", ZERO);
+ aromatic.put("S", ZERO);
+ aromatic.put("T", ZERO);
+ aromatic.put("P", ZERO);
+ aromatic.put("-", ONE);
+ aromatic.put("*", ONE);
}
static
{
- aliphatic.put("I", new Integer(1));
- aliphatic.put("L", new Integer(1));
- aliphatic.put("V", new Integer(1));
- aliphatic.put("C", new Integer(0));
- aliphatic.put("A", new Integer(0));
- aliphatic.put("G", new Integer(0));
- aliphatic.put("M", new Integer(0));
- aliphatic.put("F", new Integer(0));
- aliphatic.put("Y", new Integer(0));
- aliphatic.put("W", new Integer(0));
- aliphatic.put("H", new Integer(0));
- aliphatic.put("K", new Integer(0));
- aliphatic.put("R", new Integer(0));
- aliphatic.put("E", new Integer(0));
- aliphatic.put("Q", new Integer(0));
- aliphatic.put("D", new Integer(0));
- aliphatic.put("N", new Integer(0));
- aliphatic.put("S", new Integer(0));
- aliphatic.put("T", new Integer(0));
- aliphatic.put("P", new Integer(0));
- aliphatic.put("-", new Integer(1));
- aliphatic.put("*", new Integer(1));
+ aliphatic.put("I", ONE);
+ aliphatic.put("L", ONE);
+ aliphatic.put("V", ONE);
+ aliphatic.put("C", ZERO);
+ aliphatic.put("A", ZERO);
+ aliphatic.put("G", ZERO);
+ aliphatic.put("M", ZERO);
+ aliphatic.put("F", ZERO);
+ aliphatic.put("Y", ZERO);
+ aliphatic.put("W", ZERO);
+ aliphatic.put("H", ZERO);
+ aliphatic.put("K", ZERO);
+ aliphatic.put("R", ZERO);
+ aliphatic.put("E", ZERO);
+ aliphatic.put("Q", ZERO);
+ aliphatic.put("D", ZERO);
+ aliphatic.put("N", ZERO);
+ aliphatic.put("S", ZERO);
+ aliphatic.put("T", ZERO);
+ aliphatic.put("P", ZERO);
+ aliphatic.put("-", ONE);
+ aliphatic.put("*", ONE);
}
static
{
- tiny.put("I", new Integer(0));
- tiny.put("L", new Integer(0));
- tiny.put("V", new Integer(0));
- tiny.put("C", new Integer(0));
- tiny.put("A", new Integer(1));
- tiny.put("G", new Integer(1));
- tiny.put("M", new Integer(0));
- tiny.put("F", new Integer(0));
- tiny.put("Y", new Integer(0));
- tiny.put("W", new Integer(0));
- tiny.put("H", new Integer(0));
- tiny.put("K", new Integer(0));
- tiny.put("R", new Integer(0));
- tiny.put("E", new Integer(0));
- tiny.put("Q", new Integer(0));
- tiny.put("D", new Integer(0));
- tiny.put("N", new Integer(0));
- tiny.put("S", new Integer(1));
- tiny.put("T", new Integer(0));
- tiny.put("P", new Integer(0));
- tiny.put("-", new Integer(1));
- tiny.put("*", new Integer(1));
+ tiny.put("I", ZERO);
+ tiny.put("L", ZERO);
+ tiny.put("V", ZERO);
+ tiny.put("C", ZERO);
+ tiny.put("A", ONE);
+ tiny.put("G", ONE);
+ tiny.put("M", ZERO);
+ tiny.put("F", ZERO);
+ tiny.put("Y", ZERO);
+ tiny.put("W", ZERO);
+ tiny.put("H", ZERO);
+ tiny.put("K", ZERO);
+ tiny.put("R", ZERO);
+ tiny.put("E", ZERO);
+ tiny.put("Q", ZERO);
+ tiny.put("D", ZERO);
+ tiny.put("N", ZERO);
+ tiny.put("S", ONE);
+ tiny.put("T", ZERO);
+ tiny.put("P", ZERO);
+ tiny.put("-", ONE);
+ tiny.put("*", ONE);
}
static
{
- proline.put("I", new Integer(0));
- proline.put("L", new Integer(0));
- proline.put("V", new Integer(0));
- proline.put("C", new Integer(0));
- proline.put("A", new Integer(0));
- proline.put("G", new Integer(0));
- proline.put("M", new Integer(0));
- proline.put("F", new Integer(0));
- proline.put("Y", new Integer(0));
- proline.put("W", new Integer(0));
- proline.put("H", new Integer(0));
- proline.put("K", new Integer(0));
- proline.put("R", new Integer(0));
- proline.put("E", new Integer(0));
- proline.put("Q", new Integer(0));
- proline.put("D", new Integer(0));
- proline.put("N", new Integer(0));
- proline.put("S", new Integer(0));
- proline.put("T", new Integer(0));
- proline.put("P", new Integer(1));
- proline.put("-", new Integer(1));
- proline.put("*", new Integer(1));
+ proline.put("I", ZERO);
+ proline.put("L", ZERO);
+ proline.put("V", ZERO);
+ proline.put("C", ZERO);
+ proline.put("A", ZERO);
+ proline.put("G", ZERO);
+ proline.put("M", ZERO);
+ proline.put("F", ZERO);
+ proline.put("Y", ZERO);
+ proline.put("W", ZERO);
+ proline.put("H", ZERO);
+ proline.put("K", ZERO);
+ proline.put("R", ZERO);
+ proline.put("E", ZERO);
+ proline.put("Q", ZERO);
+ proline.put("D", ZERO);
+ proline.put("N", ZERO);
+ proline.put("S", ZERO);
+ proline.put("T", ZERO);
+ proline.put("P", ONE);
+ proline.put("-", ONE);
+ proline.put("*", ONE);
}
static
propMatrixF[i][j] = 0;
propMatrixPos[i][j] = 0;
propMatrixEpos[i][j] = 0;
- for (Enumeration<String> en = propHash.keys(); en.hasMoreElements();)
+ for (String ph : propHash.keySet())
{
- String ph = en.nextElement();
- Map<String, Integer> pph = (Map<String, Integer>) propHash
- .get(ph);
+ Map<String, Integer> pph = propHash.get(ph);
if (pph.get(ic) != null && pph.get(jc) != null)
{
int icp = pph.get(ic).intValue(), jcp = pph.get(jc).intValue();
return pog;
}
- public static Vector getCodons(String res)
- {
- if (codonHash.containsKey(res))
- {
- return (Vector) codonHash.get(res);
- }
-
- return null;
- }
-
public static String codonTranslate(String lccodon)
{
- if (false)
- {
- return _codonTranslate(lccodon);
- }
String cdn = codonHash2.get(lccodon.toUpperCase());
if ("*".equals(cdn))
{
return cdn;
}
- public static String _codonTranslate(String lccodon)
- {
- String codon = lccodon.toUpperCase();
- // all base ambiguity codes yield an 'X' amino acid residue
- if (codon.indexOf('X') > -1 || codon.indexOf('N') > -1)
- {
- return "X";
- }
- for (String key : codonHash.keySet())
- {
- if (codonHash.get(key).contains(codon))
- {
- return key;
- }
- }
-
- return null;
- }
-
public static int[][] getDefaultPeptideMatrix()
{
return ResidueProperties.getBLOSUM62();
return pog;
}
- public static Hashtable toDssp3State;
+ public static Hashtable<String, String> toDssp3State;
static
{
- toDssp3State = new Hashtable();
+ toDssp3State = new Hashtable<String, String>();
toDssp3State.put("H", "H");
toDssp3State.put("E", "E");
toDssp3State.put("C", " ");
String ssc = ssstring.substring(i, i + 1);
if (toDssp3State.containsKey(ssc))
{
- ss.append((String) toDssp3State.get(ssc));
+ ss.append(toDssp3State.get(ssc));
}
else
{
return ss.toString();
}
- /**
- * Used by getRNASecStrucState
- *
- */
- public static Hashtable<String, String> toRNAssState;
-
- public static boolean RNAcloseParen[] = new boolean[255];
- static
- {
- toRNAssState = new Hashtable<String, String>();
- toRNAssState.put(")", "(");
- toRNAssState.put("(", "(");
- toRNAssState.put("]", "[");
- toRNAssState.put("[", "[");
- toRNAssState.put("{", "{");
- toRNAssState.put("}", "{");
- toRNAssState.put(">", ">");
- toRNAssState.put("<", ">");
- toRNAssState.put("A", "A");
- toRNAssState.put("a", "A");
- toRNAssState.put("B", "B");
- toRNAssState.put("b", "B");
- toRNAssState.put("C", "C");
- toRNAssState.put("c", "C");
- toRNAssState.put("D", "D");
- toRNAssState.put("d", "D");
- toRNAssState.put("E", "E");
- toRNAssState.put("e", "E");
- toRNAssState.put("F", "F");
- toRNAssState.put("f", "F");
- toRNAssState.put("G", "G");
- toRNAssState.put("g", "G");
- toRNAssState.put("H", "H");
- toRNAssState.put("h", "H");
- toRNAssState.put("I", "I");
- toRNAssState.put("i", "I");
- toRNAssState.put("J", "J");
- toRNAssState.put("j", "J");
- toRNAssState.put("K", "K");
- toRNAssState.put("k", "K");
- toRNAssState.put("L", "L");
- toRNAssState.put("l", "L");
- toRNAssState.put("M", "M");
- toRNAssState.put("m", "M");
- toRNAssState.put("N", "N");
- toRNAssState.put("n", "N");
- toRNAssState.put("O", "O");
- toRNAssState.put("o", "O");
- toRNAssState.put("P", "P");
- toRNAssState.put("p", "P");
- toRNAssState.put("Q", "Q");
- toRNAssState.put("q", "Q");
- toRNAssState.put("R", "R");
- toRNAssState.put("r", "R");
- toRNAssState.put("S", "S");
- toRNAssState.put("s", "S");
- toRNAssState.put("T", "T");
- toRNAssState.put("t", "T");
- toRNAssState.put("U", "U");
- toRNAssState.put("u", "U");
- toRNAssState.put("V", "V");
- toRNAssState.put("v", "V");
- toRNAssState.put("W", "W");
- toRNAssState.put("w", "W");
- toRNAssState.put("X", "X");
- toRNAssState.put("x", "X");
- toRNAssState.put("Y", "Y");
- toRNAssState.put("y", "Y");
- toRNAssState.put("Z", "Z");
- toRNAssState.put("z", "Z");
- for (int p = 0; p < RNAcloseParen.length; p++)
- {
- RNAcloseParen[p] = false;
- }
- for (String k : toRNAssState.keySet())
- {
- RNAcloseParen[k.charAt(0)] = k.charAt(0) != toRNAssState.get(k)
- .charAt(0);
- }
- }
-
static
{
modifications.put("MSE", "MET"); // Selenomethionine
}
- public static String getCanonicalAminoAcid(String aa)
- {
- String canonical = modifications.get(aa);
- return canonical == null ? aa : canonical;
- }
-
- /**
- * translate to RNA secondary structure representation
- *
- * @param ssstring
- * @return ssstring as a RNA-state secondary structure assignment.
- */
- public static String getRNASecStrucState(String ssstring)
- {
- if (ssstring == null)
- {
- return null;
- }
- StringBuffer ss = new StringBuffer();
- for (int i = 0; i < ssstring.length(); i++)
- {
- String ssc = ssstring.substring(i, i + 1);
- if (toRNAssState.containsKey(ssc))
- {
- // valid ss character - so return it
- ss.append(ssc); // (String) toRNAssState.get(ssc));
- }
- else
- {
- ss.append(" ");
- }
- }
- return ss.toString();
- }
-
- public static boolean isCloseParenRNA(char dc)
+ public static String getCanonicalAminoAcid(String aA)
{
- return RNAcloseParen[dc];
+ String canonical = modifications.get(aA);
+ return canonical == null ? aA : canonical;
}
// main method generates perl representation of residue property hash
// / cut here
public static void main(String[] args)
{
- Hashtable aa = new Hashtable();
+ Hashtable<String, Vector<String>> aaProps = new Hashtable<String, Vector<String>>();
System.out.println("my %aa = {");
// invert property hashes
- Enumeration prop = propHash.keys();
- while (prop.hasMoreElements())
+ for (String pname : propHash.keySet())
{
- String pname = (String) prop.nextElement();
- Hashtable phash = (Hashtable) propHash.get(pname);
- Enumeration res = phash.keys();
- while (res.hasMoreElements())
+ Map<String, Integer> phash = propHash.get(pname);
+ for (String rname : phash.keySet())
{
- String rname = (String) res.nextElement();
- Vector aprops = (Vector) aa.get(rname);
+ Vector<String> aprops = aaProps.get(rname);
if (aprops == null)
{
- aprops = new Vector();
- aa.put(rname, aprops);
+ aprops = new Vector<String>();
+ aaProps.put(rname, aprops);
}
- Integer hasprop = (Integer) phash.get(rname);
+ Integer hasprop = phash.get(rname);
if (hasprop.intValue() == 1)
{
aprops.addElement(pname);
}
}
}
- Enumeration res = aa.keys();
+ Enumeration<String> res = aaProps.keys();
while (res.hasMoreElements())
{
- String rname = (String) res.nextElement();
+ String rname = res.nextElement();
System.out.print("'" + rname + "' => [");
- Enumeration props = ((Vector) aa.get(rname)).elements();
+ Enumeration<String> props = aaProps.get(rname).elements();
while (props.hasMoreElements())
{
- System.out.print("'" + (String) props.nextElement() + "'");
+ System.out.print("'" + props.nextElement() + "'");
if (props.hasMoreElements())
{
System.out.println(", ");
/**
* Returns a list of residue characters for the specified inputs
*
- * @param nucleotide
+ * @param forNucleotide
* @param includeAmbiguous
* @return
*/
- public static List<String> getResidues(boolean nucleotide,
+ public static List<String> getResidues(boolean forNucleotide,
boolean includeAmbiguous)
{
List<String> result = new ArrayList<String>();
- if (nucleotide)
+ if (forNucleotide)
{
for (String nuc : nucleotideName.keySet())
{
git://source.jalview.org / jalview.git / blobdiff